1H9U

The structure of the human retinoid-X-receptor beta ligand binding domain in complex with the specific synthetic agonist LG100268

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Detector	QUANTUM
Spacegroup name	C 1 2 1
Unit cell lengths	123.886, 106.882, 100.587
Unit cell angles	90.00, 122.56, 90.00

Refinement procedure

Resolution	38.140 - 2.700
R-factor	0.277 *
Rwork	0.273
R-free	0.30100 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1LBD
RMSD bond length	0.009
RMSD bond angle	19.200 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000
High resolution limit [Å]	2.700	2.700 *
Rmerge	0.098	0.264 *
Total number of observations	87647 *
Number of reflections	29713
<I/σ(I)>	5.1
Completeness [%]	97.8 *
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.6	20 *	pH 7.60

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	10 (mM)	pH8.0
2	1	drop		50 (mM)
3	1	drop	dithiothreitol	1.0 (mM)
4	1	drop	Triton X-100	0.125 (%(v/v))
5	1	drop	protein	7.4 (mg/ml)
6	1	reservoir	ammonium formate	1.4 (M)	pH7.6